N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide

C18H13ClN2O5 — CID 28671192

IUPACN-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H13ClN2O5/c19-16-6-4-12(9-15(16)17-7-5-14(10-22)26-17)20-18(23)11-2-1-3-13(8-11)21(24)25/h1-9,22H,10H2,(H,20,23)
InChIKeyHMIOYXCIXANYBC-UHFFFAOYSA-N
MW372.76 g/mol
LogP4.25
Rot. Bonds5

About N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide

N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide (PubChem CID 28671192) has the molecular formula C18H13ClN2O5 and a molecular weight of 372.76 g/mol. Its IUPAC name is N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide
PubChem CID28671192
Molecular FormulaC18H13ClN2O5
Molecular Weight372.76 g/mol
Exact Mass372.05
IUPAC NameN-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H13ClN2O5/c19-16-6-4-12(9-15(16)17-7-5-14(10-22)26-17)20-18(23)11-2-1-3-13(8-11)21(24)25/h1-9,22H,10H2,(H,20,23)
InChIKeyHMIOYXCIXANYBC-UHFFFAOYSA-N
XLogP4.25
TPSA105.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.76
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide
CID 28672414
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-methyl-3-nitrobenzamide
CID 28671455
N-(4-chloro-3-hydroxyphenyl)-3-nitrobenzamide
CID 64786524
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide
CID 28667348
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]thiophene-2-carboxamide
CID 28669155
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 28674406
N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide
CID 4620848
N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 28670712
N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 784701
3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide
CID 28667496
3-chloro-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-1-benzofuran-2-carboxamide
CID 146147813
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide?
The IUPAC name of N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide (CID 28671192) is N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide.
What is the SMILES notation for N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide?
The canonical SMILES for N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide is O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide?
The InChIKey is HMIOYXCIXANYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O5/c19-16-6-4-12(9-15(16)17-7-5-14(10-22)26-17)20-18(23)11-2-1-3-13(8-11)21(24)25/h1-9,22H,10H2,(H,20,23).
What are the key properties of N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide?
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide has a molecular weight of 372.76 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide is sourced from PubChem (CID 28671192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).